%chk=000160358.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160358

0 1
 O    3.218100      -2.090700      0.3104000    
 O   -1.326900      -3.340300     -0.3271000    
 O   -2.871600      -1.407500      -1.327400    
 O   -5.865600       2.188500      0.7627000    
 O   -3.800600       3.109000      0.5263000    
 C    2.645300      0.6951000     -6.7299999E-02
 C    2.376200       1.684700       1.079900    
 C    2.795200       1.434200      -1.408600    
 C    3.451400       2.768200       1.146400    
 C    3.868600       2.518600      -1.331700    
 C    3.603700       3.493100     -0.1877000    
 C    1.587400     -0.3912000     -0.1353000    
 C    1.929000      -1.728800      5.7300001E-02
 C   0.2641000     -3.7000000E-02 -0.3935000    
 C  -0.7201000      -1.023200     -0.4596000    
 C   0.9449000      -2.714900     -8.6000003E-03
 C  -0.3797000      -2.362200     -0.2671000    
 C   -2.096900     -0.6337000     -0.7304000    
 C   -2.607800      0.7444000     -0.2760000    
 C    3.621500      -2.136700       1.677400    
 C   -4.103500      0.7682000      1.7600000E-02
 C   -1.986000      -3.679000      0.8912000    
 C   -4.546500       2.141300      0.4510000    
 H    3.622500      0.2399000      0.1359000    
 H    2.340200       1.151500       2.037800    
 H    1.399500       2.169100      0.9569000    
 H    1.848000       1.900900      -1.706500    
 H    3.055300      0.7228000      -2.202400    
 H    3.198300       3.490100       1.931100    
 H    4.409800       2.314400       1.427500    
 H    4.851100       2.050600      -1.193100    
 H    3.907400       3.065900      -2.280400    
 H    4.424400       4.216300     -0.1224000    
 H    2.690900       4.063500     -0.3989000    
 H   9.7000003E-03   1.006000     -0.5585000    
 H    1.210500      -3.758700      0.1400000    
 H   -2.365000       1.463600      -1.067400    
 H   -2.068800       1.040800      0.6320000    
 H    4.695400      -2.339600       1.710500    
 H    3.430600      -1.184000       2.180400    
 H    3.097300      -2.944200       2.198300    
 H   -4.337800      5.4499999E-02  0.8151000    
 H   -4.670200      0.4923000     -0.8784000    
 H   -1.271500      -4.098600       1.606500    
 H   -2.479900      -2.803800       1.325300    
 H   -2.744900      -4.434700      0.6712000    
 H   -6.142300       3.085100       1.048800    


%chk=000160358-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160358

0 1
O 3.493500 -1.819596 0.323877
O -0.952396 -3.618951 0.483321
O -2.930931 -1.606032 -0.643353
O -5.873233 2.455326 -0.117626
O -3.846723 3.104035 -1.041058
C 2.652632 0.892555 0.195902
C 2.420944 1.883377 1.373986
C 2.616853 1.657442 -1.161076
C 3.446648 3.041133 1.349905
C 3.640813 2.817069 -1.183882
C 3.418313 3.791695 -0.002921
C 1.663408 -0.269251 0.224068
C 2.107327 -1.629420 0.294739
C 0.278615 -0.062925 0.163681
C -0.702972 -1.107594 0.164984
C 1.183631 -2.689672 0.361783
C -0.211656 -2.448346 0.327435
C -2.108268 -0.758036 -0.166491
C -2.558007 0.707779 -0.002710
C 4.000109 -3.195525 0.372647
C -4.087872 0.842616 -0.056446
C -2.254444 -3.626116 1.171032
C -4.530063 2.231627 -0.457653
H 3.669305 0.471319 0.310127
H 2.478362 1.337120 2.335420
H 1.396672 2.305712 1.306111
H 1.597974 2.065808 -1.325833
H 2.815482 0.951164 -1.990072
H 3.244376 3.742562 2.182760
H 4.463863 2.629538 1.516556
H 4.666633 2.397948 -1.121123
H 3.574607 3.359162 -2.147256
H 4.185808 4.589803 -0.015052
H 2.433860 4.290172 -0.122584
H -0.070104 0.969684 0.065533
H 1.496736 -3.729417 0.483458
H -2.125652 1.311065 -0.826790
H -2.155290 1.133988 0.934104
H 5.095120 -3.097353 0.349622
H 3.688424 -3.702883 1.305485
H 3.655079 -3.778638 -0.502010
H -4.566672 0.572975 0.900661
H -4.481602 0.118508 -0.798658
H -2.275780 -2.868041 1.977158
H -3.063202 -3.422502 0.452962
H -2.337805 -4.637590 1.599225
H -6.141718 3.360508 -0.434748


